| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 14th, 2011 | 23 | Yes |
Popular Name: 3-[5-[(4-cyclohexyl-1,4-diazepan-1-yl)methyl]-3-thienyl]prop-2-yn-1-ol 3-[5-[(4-cyclohexyl-1,4-diazepan…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.20 | 7.65 | -37.29 | 2 | 3 | 1 | 28 | 333.521 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.20 | 5.46 | -7.05 | 1 | 3 | 0 | 27 | 332.513 | 3 | ↓ |
